4-phenethyl-2,6-bis[(phenylmethyl)sulfonyl]pyrimidine

Systemtic Name: 4-phenethyl-2,6-bis[(phenylmethyl)sulfonyl]pyrimidine Openeye Name: 2,4-bis(benzylsulfonyl)-6-phenethyl-pyrimidine CAS Name: 4-phenethyl-2,6-bis[(phenylmethyl)sulfonyl]pyrimidine IUPAC Name: 2,4-bis(benzylsulfonyl)-6-phenethylpyrimidine Traditional Name: 2,4-bis(benzylsulfonyl)-6-phenethyl-pyrimidine Formula: C26H24N2O4S2 MolecularWeight: 492.60976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CC(=NC(=N2)S(=O)(=O)CC3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CC(=NC(=N2)S(=O)(=O)CC3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H24N2O4S2/c29-33(30,19-22-12-6-2-7-13-22)25-18-24(17-16-21-10-4-1-5-11-21)27-26(28-25)34(31,32)20-23-14-8-3-9-15-23/h1-15,18H,16-17,19-20H2